3-Iodophenylisothiocyanate

• CAT Number: I020895
• CAS Number: 3125-73-3
• Molecular Formula: C7H4INS
• Molecular Weight: 261.08
• Purity: 98%
• Synonyms: 3-Iodophenylisothiocyanate
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: 1-iodo-3-isothiocyanatobenzene
• InChI: InChI=1S/C7H4INS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
• InChIKey: LKCSXVAACHUTGC-UHFFFAOYSA-N
• SMILES: C1=CC(=CC(=C1)I)N=C=S

3-Iodophenylisothiocyanate（Cat No.:I020895）is an organic compound containing an isothiocyanate group (-N=C=S) attached to a phenyl ring with an iodine atom at the 3-position. This compound is used primarily as a reagent in chemical synthesis and is important in medicinal chemistry and biological research. The isothiocyanate group is reactive and can form covalent bonds with proteins, making 3-iodophenylisothiocyanate useful in the study of protein-ligand interactions, enzyme inhibition, and other biochemical processes. It is also explored for its potential anticancer properties due to its ability to induce cellular stress and apoptosis in cancer cells.